A reducible metal-​org. framework (MOF)​, iron(III) trimesate, denoted as MIL-​100(Fe)​, was investigated for the sepn. and
purifn. of methane​/ethane​/ethylene​/acetylene and an acetylene​/CO2 mixts. by using sorption isotherms, breakthrough expts.,
ideal adsorbed soln. theory (IAST) calcns., and IR spectroscopic anal. The MIL-​100(Fe) showed high adsorption selectivity
not only for acetylene and ethylene over methane and ethane, but also for acetylene over CO2. The sepn. and purifn. of acetylene
over ethylene was also possible for MIL-​100(Fe) activated at 423 K. According to the data obtained from operando IR spectroscopy,
the unsatd. FeIII sites and surface OH groups are mainly responsible for the successful sepn. of the acetylene​/ethylene mixt.,
whereas the unsatd. FeII sites have a detrimental effect on both sepn. and purifn. The potential of MIL-​100(Fe) for the sepn.
of a mixt. of C2H2/CO2 was also examd. by using the IAST calcns. and transient breakthrough simulations. Comparing the IAST
selectivity calcns. of C2H2/CO2 for four MOFs selected from the literature, the selectivity with MIL-​100(Fe) was higher than
those of CuBTC, ZJU-​60a, and PCP-​33, but lower than that of HOF-​3.

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